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Compound Detail

CHEMBL3139732

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C[S+](C)C[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139732
Phase Preclinical
Structure Type MOL
InChI Key XLKXYKOJHKCGFQ-IEBWSBKVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.5
MW (Da)
3.44
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23O2S+
MW 315.46
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.56

Data from ChEMBL 36 via Core Engine